#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhj s SER 2 N 0.00 6.39 -0.09 1.61 0.15 -1.26 -4.89 113.70 115.61 2dhj s SER 2 Ca 0.00 -1.72 -0.13 0.00 0.70 0.00 0.00 55.95 54.80 2dhj s SER 2 Cb 0.00 -2.33 -0.11 0.00 -1.71 0.00 0.00 66.02 61.87 2dhj s SER 2 CO 0.00 -1.08 0.43 0.28 1.20 0.00 0.00 173.24 174.08 2dhj h SER 3 N 8.95 -0.08 0.00 5.45 0.02 -2.08 -3.49 113.55 122.32 2dhj h SER 3 Ca -0.11 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2dhj h SER 3 Cb 1.06 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2dhj h SER 3 CO 1.07 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 177.92 2dhj n GLY 4 N 1.36 0.54 3.31 -3.77 0.00 -1.26 -5.15 105.19 100.21 2dhj n GLY 4 Ca -0.05 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 2dhj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhj s SER 5 N 0.00 3.11 -0.46 1.61 0.15 -1.26 -5.03 113.70 111.81 2dhj s SER 5 Ca 0.00 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.21 2dhj s SER 5 Cb 0.00 -0.51 0.45 0.00 -1.71 0.00 0.00 66.02 64.25 2dhj s SER 5 CO 0.00 0.30 1.54 -1.20 1.20 0.00 0.00 173.24 175.08 2dhj n SER 6 N 2.58 6.06 -3.65 5.45 7.64 -1.26 -5.00 113.62 125.44 2dhj n SER 6 Ca -0.16 -3.77 -0.05 0.00 1.01 0.00 0.00 58.87 55.89 2dhj n SER 6 Cb 0.51 -0.62 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 2dhj n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dhj s GLY 7 N -2.83 -0.07 -0.18 0.23 0.00 -1.26 -5.02 107.32 98.19 2dhj s GLY 7 Ca 0.56 -0.20 0.05 0.00 0.00 0.00 0.00 44.72 45.13 2dhj s GLY 7 CO -0.01 0.15 1.32 1.34 0.00 0.00 0.00 173.10 175.90 2dhj n ASP 8 N -0.66 3.44 -3.94 1.64 2.03 -1.26 -4.79 116.55 113.00 2dhj n ASP 8 Ca -0.05 -2.66 -0.28 0.00 0.52 0.00 0.00 54.79 52.32 2dhj n ASP 8 Cb 0.60 -0.64 -0.17 0.00 -0.72 0.00 0.00 41.12 40.19 2dhj n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dhj s ALA 9 N -1.82 1.46 0.28 -1.67 0.00 -1.26 -4.81 121.76 113.94 2dhj s ALA 9 Ca 0.29 -0.63 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 2dhj s ALA 9 Cb 0.23 -0.93 0.45 0.00 0.00 0.00 0.00 23.12 22.87 2dhj s ALA 9 CO 0.07 -0.38 1.56 0.00 0.00 0.00 0.00 175.76 177.02 2dhj h ALA 10 N 8.08 0.64 -2.63 0.00 0.00 -1.56 -3.43 119.26 120.37 2dhj h ALA 10 Ca -0.32 0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2dhj h ALA 10 Cb 1.14 0.74 -0.14 0.00 0.00 0.00 0.00 17.79 19.52 2dhj h ALA 10 CO 0.44 -0.38 -0.20 0.21 0.00 0.00 0.00 179.25 179.32 2dhj s LYS 11 N -6.26 0.94 0.07 0.00 2.20 -1.21 -5.03 119.74 110.46 2dhj s LYS 11 Ca -0.15 -0.73 -0.25 0.00 -0.36 0.00 0.00 55.97 54.48 2dhj s LYS 11 Cb 0.26 0.40 0.07 0.00 -1.51 0.00 0.00 37.83 37.05 2dhj s LYS 11 CO 0.78 -0.34 0.60 -1.83 -0.36 0.00 0.00 175.35 174.20 2dhj s GLU 12 N -3.52 1.15 0.00 4.03 -1.05 -1.26 -0.87 118.70 117.18 2dhj s GLU 12 Ca 0.02 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 2dhj s GLU 12 Cb 0.02 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 2dhj s GLU 12 CO -0.10 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.08 2dhj n GLY 13 N 0.21 3.47 3.65 -3.83 0.00 -1.10 -5.04 105.19 102.55 2dhj n GLY 13 Ca -0.18 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2dhj n GLY 13 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dhj s TRP 14 N -2.00 2.01 0.01 1.61 0.52 -1.26 -2.29 118.94 117.53 2dhj s TRP 14 Ca 0.00 0.30 0.01 0.00 0.02 0.00 0.00 56.10 56.43 2dhj s TRP 14 Cb 0.00 -3.92 -0.01 0.00 -1.15 0.00 0.00 33.47 28.40 2dhj s TRP 14 CO 0.00 -3.60 -0.03 -0.51 0.02 0.00 0.00 176.95 172.83 2dhj s LEU 15 N 4.38 2.06 -0.49 2.99 1.43 -1.26 -4.92 118.68 122.87 2dhj s LEU 15 Ca 0.73 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 2dhj s LEU 15 Cb -0.31 -0.10 0.03 0.00 0.03 0.00 0.00 46.19 45.84 2dhj s LEU 15 CO 0.29 -0.04 1.10 -1.00 0.23 0.00 0.00 176.35 176.93 2dhj s HIS 16 N -0.39 2.80 -0.44 0.29 3.76 -1.23 -3.00 115.29 117.09 2dhj s HIS 16 Ca -0.03 0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 55.26 2dhj s HIS 16 Cb -0.03 -4.35 0.02 0.00 1.11 0.00 0.00 32.58 29.34 2dhj s HIS 16 CO -0.00 -1.29 0.57 0.12 -0.85 0.00 0.00 174.74 173.28 2dhj s PHE 17 N 4.37 3.10 -0.41 1.40 5.36 0.22 -2.31 117.98 129.71 2dhj s PHE 17 Ca 0.44 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.23 2dhj s PHE 17 Cb -0.08 -3.19 0.11 0.00 -0.34 0.00 0.00 43.02 39.52 2dhj s PHE 17 CO 0.29 -0.82 0.15 0.50 -1.46 0.00 0.00 175.22 173.89 2dhj s ARG 18 N 2.56 1.78 0.35 10.12 3.52 -0.04 -2.27 118.95 134.96 2dhj s ARG 18 Ca 0.18 -2.04 -0.27 0.00 -0.13 0.00 0.00 55.73 53.47 2dhj s ARG 18 Cb -0.15 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 2dhj s ARG 18 CO 0.17 -1.02 1.21 -1.25 -0.81 0.00 0.00 175.30 173.60 2dhj s PRO 19 N 0.69 4.26 -0.18 5.12 0.04 -1.26 0.13 135.00 143.80 2dhj s PRO 19 Ca 0.12 1.98 -0.15 0.00 0.04 0.00 0.00 61.00 62.98 2dhj s PRO 19 Cb -0.21 -2.91 -0.10 0.00 0.04 0.00 0.00 34.50 31.31 2dhj s PRO 19 CO -0.05 -0.18 -0.06 1.28 0.04 0.00 0.00 177.00 178.03 2dhj n LEU 20 N 0.54 1.85 -4.09 -3.56 4.77 0.82 -4.86 117.00 112.46 2dhj n LEU 20 Ca 0.02 0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 56.32 2dhj n LEU 20 Cb 0.44 -0.89 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 2dhj n LEU 20 CO 0.54 -0.09 -0.44 0.68 -1.33 0.00 0.00 177.39 176.75 2dhj s VAL 21 N -2.36 0.89 0.21 4.08 -7.23 -1.16 -5.03 120.40 109.80 2dhj s VAL 21 Ca -0.23 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2dhj s VAL 21 Cb 0.05 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.18 2dhj s VAL 21 CO 0.40 0.02 0.00 0.35 -0.31 0.00 0.00 175.10 175.56 2dhj n THR 22 N 2.18 0.26 -2.26 5.32 -2.24 -1.26 -3.98 114.28 112.29 2dhj n THR 22 Ca -0.17 0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.44 2dhj n THR 22 Cb 0.55 -0.77 0.06 0.00 -2.10 0.00 0.00 70.33 68.07 2dhj n THR 22 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2dhj s ASP 23 N -5.21 4.98 -0.75 3.42 -4.77 -1.26 -5.04 116.67 108.04 2dhj s ASP 23 Ca 0.00 0.47 0.03 0.00 -3.30 0.00 0.00 52.55 49.75 2dhj s ASP 23 Cb 0.00 -1.19 0.20 0.00 -1.09 0.00 0.00 42.92 40.84 2dhj s ASP 23 CO 0.00 -1.48 0.63 1.17 0.70 0.00 0.00 175.17 176.19 2dhj n LYS 24 N -2.82 2.19 -1.83 2.11 4.81 -1.26 -4.81 118.16 116.55 2dhj n LYS 24 Ca 0.07 -4.52 -0.03 0.00 -0.87 0.00 0.00 58.31 52.96 2dhj n LYS 24 Cb 0.60 -2.32 0.01 0.00 0.02 0.00 0.00 35.03 33.34 2dhj n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dhj n GLY 25 N 1.84 0.50 3.14 3.14 0.00 -1.26 -5.09 105.19 107.46 2dhj n GLY 25 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2dhj n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dhj s LYS 26 N -3.26 0.47 -0.67 1.61 2.20 -1.26 -5.05 119.74 113.77 2dhj s LYS 26 Ca 0.09 -0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 55.50 2dhj s LYS 26 Cb -0.01 0.20 0.35 0.00 -1.51 0.00 0.00 37.83 36.86 2dhj s LYS 26 CO 0.14 -0.11 2.11 -2.13 -0.36 0.00 0.00 175.35 175.00 2dhj n ARG 27 N 1.79 2.58 -0.02 4.03 0.63 -1.26 -4.25 116.66 120.17 2dhj n ARG 27 Ca -0.20 -3.08 -0.03 0.00 -0.92 0.00 0.00 57.85 53.62 2dhj n ARG 27 Cb 0.56 -2.19 -0.02 0.00 0.45 0.00 0.00 32.46 31.26 2dhj n ARG 27 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 2dhj n VAL 28 N -0.47 0.26 -0.83 5.15 3.14 -1.26 -5.05 118.33 119.26 2dhj n VAL 28 Ca 0.55 -0.11 -0.30 0.00 -2.96 0.00 0.00 64.34 61.51 2dhj n VAL 28 Cb 0.49 -0.73 0.17 0.00 -1.06 0.00 0.00 33.84 32.72 2dhj n VAL 28 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2dhj s GLY 29 N -4.18 1.63 0.87 7.55 0.00 -1.26 -4.94 107.32 106.99 2dhj s GLY 29 Ca -0.05 0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.76 2dhj s GLY 29 CO 0.12 0.73 0.31 0.61 0.00 0.00 0.00 173.10 174.86 2dhj n GLY 30 N -0.09 -2.16 3.22 0.20 0.00 -1.26 -4.93 105.19 100.17 2dhj n GLY 30 Ca 0.08 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2dhj n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhj s SER 31 N -1.69 5.91 -1.75 1.61 0.01 -1.26 -4.70 113.70 111.82 2dhj s SER 31 Ca 0.58 -2.37 -0.17 0.00 1.31 0.00 0.00 55.95 55.30 2dhj s SER 31 Cb -0.26 -2.04 0.17 0.00 0.21 0.00 0.00 66.02 64.10 2dhj s SER 31 CO 0.66 -0.58 0.42 -0.38 0.41 0.00 0.00 173.24 173.76 2dhj n ILE 32 N 4.29 -0.28 -1.84 1.44 5.41 -1.26 -4.84 119.36 122.29 2dhj n ILE 32 Ca 0.02 -0.14 -0.37 0.00 1.00 0.00 0.00 62.75 63.26 2dhj n ILE 32 Cb 0.42 -0.63 0.05 0.00 -0.71 0.00 0.00 39.64 38.77 2dhj n ILE 32 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2dhj s ARG 33 N -7.15 2.74 1.07 0.38 0.52 -1.26 -5.00 118.95 110.25 2dhj s ARG 33 Ca 0.58 2.00 -0.15 0.00 -0.52 0.00 0.00 55.73 57.65 2dhj s ARG 33 Cb -0.34 -1.91 0.22 0.00 0.52 0.00 0.00 34.95 33.44 2dhj s ARG 33 CO 1.00 -1.43 1.10 -1.25 0.02 0.00 0.00 175.30 174.73 2dhj s PRO 34 N -3.32 -0.17 0.42 3.54 0.04 -1.26 -4.95 135.00 129.31 2dhj s PRO 34 Ca 0.80 0.31 -0.23 0.00 0.04 0.00 0.00 61.00 61.92 2dhj s PRO 34 Cb -0.36 -1.69 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2dhj s PRO 34 CO 0.38 -3.09 0.80 0.91 0.04 0.00 0.00 177.00 176.05 2dhj n TRP 35 N -4.39 0.42 -3.87 0.56 7.02 -1.26 -4.93 117.44 110.99 2dhj n TRP 35 Ca 0.07 0.59 -0.36 0.00 -1.02 0.00 0.00 57.50 56.79 2dhj n TRP 35 Cb 0.58 -2.12 -0.13 0.00 -2.42 0.00 0.00 31.31 27.22 2dhj n TRP 35 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2dhj s LYS 36 N -1.82 2.85 -0.57 -0.99 -0.14 -0.96 -4.95 119.74 113.16 2dhj s LYS 36 Ca 0.64 -0.99 -0.26 0.00 -1.36 0.00 0.00 55.97 54.00 2dhj s LYS 36 Cb -0.59 -3.18 0.04 0.00 -1.68 0.00 0.00 37.83 32.42 2dhj s LYS 36 CO 0.57 -0.46 1.05 -1.14 -0.76 0.00 0.00 175.35 174.60 2dhj s GLN 37 N 1.38 3.39 -0.12 1.68 0.74 -1.26 0.71 119.66 126.18 2dhj s GLN 37 Ca 0.00 -0.08 -0.05 0.00 0.05 0.00 0.00 55.36 55.28 2dhj s GLN 37 Cb -0.17 -4.05 0.06 0.00 1.10 0.00 0.00 33.01 29.95 2dhj s GLN 37 CO -0.01 -1.59 0.27 0.00 -0.55 0.00 0.00 175.29 173.41 2dhj s MET 38 N 4.39 0.19 -0.48 1.67 0.23 -1.16 -4.87 119.30 119.27 2dhj s MET 38 Ca 0.35 0.65 -0.45 0.00 -1.03 0.00 0.00 55.69 55.22 2dhj s MET 38 Cb -0.11 -0.07 -0.19 0.00 -1.53 0.00 0.00 34.83 32.94 2dhj s MET 38 CO 0.21 -0.22 1.88 0.98 -2.03 0.00 0.00 175.02 175.84 2dhj n TYR 39 N 4.76 1.49 -3.73 3.16 4.19 0.47 -4.07 117.16 123.42 2dhj n TYR 39 Ca -0.16 0.91 -0.37 0.00 3.31 0.00 0.00 57.90 61.59 2dhj n TYR 39 Cb 0.52 -2.28 -0.11 0.00 0.49 0.00 0.00 39.34 37.95 2dhj n TYR 39 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2dhj s VAL 40 N 4.58 4.81 -0.04 2.97 1.01 -0.97 0.12 120.40 132.87 2dhj s VAL 40 Ca 1.12 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 63.14 2dhj s VAL 40 Cb -1.46 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 2dhj s VAL 40 CO 0.73 0.33 -0.17 -0.69 0.00 0.00 0.00 175.10 175.29 2dhj s VAL 41 N 1.45 2.79 -0.27 2.92 1.01 0.12 -2.71 120.40 125.70 2dhj s VAL 41 Ca 0.06 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 2dhj s VAL 41 Cb -0.15 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2dhj s VAL 41 CO 0.06 0.59 0.03 -0.22 0.00 0.00 0.00 175.10 175.56 2dhj s LEU 42 N -0.67 3.54 -0.17 3.92 2.96 -0.05 0.04 118.68 128.24 2dhj s LEU 42 Ca 0.10 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2dhj s LEU 42 Cb -0.11 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 44.81 2dhj s LEU 42 CO 0.00 -0.14 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.73 2dhj s ARG 43 N 1.47 1.23 7.02 1.98 0.52 -0.88 -1.44 118.95 128.84 2dhj s ARG 43 Ca 0.03 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 2dhj s ARG 43 Cb -0.16 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.27 2dhj s ARG 43 CO 0.00 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.24 2dhj n GLY 44 N 4.91 2.41 0.16 -3.53 0.00 -1.26 -2.36 105.19 105.52 2dhj n GLY 44 Ca -0.11 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2dhj n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhj n HIS 45 N 6.59 0.12 -4.27 1.61 8.25 -1.26 -4.83 115.22 121.44 2dhj n HIS 45 Ca 0.00 -0.68 -0.22 0.00 -0.26 0.00 0.00 57.72 56.56 2dhj n HIS 45 Cb 0.00 -0.10 -0.12 0.00 1.12 0.00 0.00 29.99 30.89 2dhj n HIS 45 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2dhj s SER 46 N -1.65 2.35 -0.22 0.41 0.01 -0.99 0.56 113.70 114.17 2dhj s SER 46 Ca 0.16 -0.70 -0.06 0.00 1.31 0.00 0.00 55.95 56.65 2dhj s SER 46 Cb 0.13 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 2dhj s SER 46 CO 0.03 0.00 0.03 -0.76 0.41 0.00 0.00 173.24 172.95 2dhj s LEU 47 N -2.01 3.32 -0.32 2.44 1.43 -0.69 -2.07 118.68 120.78 2dhj s LEU 47 Ca 0.06 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 2dhj s LEU 47 Cb -0.09 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2dhj s LEU 47 CO 0.04 0.02 0.08 -0.31 0.23 0.00 0.00 176.35 176.41 2dhj s TYR 48 N 1.25 3.21 0.29 0.29 2.02 0.11 -3.15 117.35 121.37 2dhj s TYR 48 Ca 0.04 -1.32 0.02 0.00 -0.37 0.00 0.00 57.07 55.44 2dhj s TYR 48 Cb -0.15 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 2dhj s TYR 48 CO 0.02 -0.69 0.47 -0.51 -1.57 0.00 0.00 175.55 173.27 2dhj s LEU 49 N 1.42 4.14 -0.17 -1.29 1.02 -1.26 0.11 118.68 122.65 2dhj s LEU 49 Ca -0.00 0.32 -0.13 0.00 0.02 0.00 0.00 54.13 54.34 2dhj s LEU 49 Cb -0.19 -3.14 0.05 0.00 0.02 0.00 0.00 46.19 42.93 2dhj s LEU 49 CO 0.02 -0.19 0.43 -0.31 0.02 0.00 0.00 176.35 176.32 2dhj s TYR 50 N -2.15 -0.55 0.28 0.29 2.02 0.33 -3.87 117.35 113.70 2dhj s TYR 50 Ca 0.38 1.25 -0.03 0.00 -0.37 0.00 0.00 57.07 58.30 2dhj s TYR 50 Cb -0.10 0.22 0.39 0.00 -0.40 0.00 0.00 41.96 42.08 2dhj s TYR 50 CO 0.33 -0.29 1.91 0.87 -1.57 0.00 0.00 175.55 176.80 2dhj h LYS 51 N 6.21 1.05 -5.25 -0.62 6.56 -1.89 1.36 116.57 123.99 2dhj h LYS 51 Ca -0.31 -0.11 -0.60 0.00 -1.06 0.00 0.00 60.65 58.57 2dhj h LYS 51 Cb 1.18 -0.21 -0.13 0.00 -0.57 0.00 0.00 32.23 32.50 2dhj h LYS 51 CO 0.26 0.76 -0.55 -0.51 -2.06 0.00 0.00 179.45 177.35 2dhj s ASP 52 N -6.36 3.40 -0.15 0.86 1.01 -1.26 -4.39 116.67 109.78 2dhj s ASP 52 Ca -0.11 -1.55 -0.14 0.00 0.71 0.00 0.00 52.55 51.45 2dhj s ASP 52 Cb 0.17 0.22 -0.11 0.00 1.01 0.00 0.00 42.92 44.21 2dhj s ASP 52 CO 0.80 -0.75 0.17 0.50 0.21 0.00 0.00 175.17 176.11 2dhj h LYS 53 N 1.69 0.00 -6.77 8.23 3.64 -1.97 -3.43 116.57 117.96 2dhj h LYS 53 Ca -0.41 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.43 2dhj h LYS 53 Cb 1.28 0.00 0.21 0.00 -0.41 0.00 0.00 32.23 33.30 2dhj h LYS 53 CO 0.70 0.47 -0.50 0.54 -2.27 0.00 0.00 179.45 178.39 2dhj n ARG 54 N -4.61 -0.13 -3.29 1.90 5.12 -1.26 -3.54 116.66 110.85 2dhj n ARG 54 Ca -0.12 0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.65 2dhj n ARG 54 Cb 0.35 -1.87 0.08 0.00 -1.16 0.00 0.00 32.46 29.86 2dhj n ARG 54 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dhj n GLU 55 N -1.50 -5.84 -0.42 5.56 -0.58 -1.26 -4.90 120.64 111.70 2dhj n GLU 55 Ca 0.08 0.77 0.05 0.00 -0.42 0.00 0.00 57.16 57.63 2dhj n GLU 55 Cb 0.53 -5.55 0.21 0.00 -0.57 0.00 0.00 31.44 26.06 2dhj n GLU 55 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2dhj n GLN 56 N -3.80 2.86 -0.05 3.49 -0.06 -1.23 -4.21 117.38 114.37 2dhj n GLN 56 Ca -0.25 -1.67 -0.12 0.00 -2.00 0.00 0.00 57.00 52.95 2dhj n GLN 56 Cb 0.65 -1.77 -0.11 0.00 -4.06 0.00 0.00 30.24 24.95 2dhj n GLN 56 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2dhj h THR 57 N 2.26 1.50 -3.66 1.69 1.35 -1.92 -3.46 112.91 110.67 2dhj h THR 57 Ca 0.00 -1.93 -0.50 0.00 -0.55 0.00 0.00 66.41 63.43 2dhj h THR 57 Cb 1.13 2.74 0.01 0.00 -1.73 0.00 0.00 68.15 70.29 2dhj h THR 57 CO 0.20 0.47 0.10 0.42 -0.25 0.00 0.00 175.52 176.47 2dhj s THR 58 N -2.59 4.82 1.20 6.82 -4.23 -1.26 -5.08 115.64 115.31 2dhj s THR 58 Ca -0.16 0.52 -0.19 0.00 -1.18 0.00 0.00 61.69 60.68 2dhj s THR 58 Cb -0.02 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 70.35 2dhj s THR 58 CO 0.61 -0.57 1.11 -2.16 -0.54 0.00 0.00 174.62 173.07 2dhj s PRO 59 N -3.99 -1.19 -0.11 3.99 0.04 -1.26 -4.85 135.00 127.62 2dhj s PRO 59 Ca 0.50 -0.05 -0.33 0.00 0.04 0.00 0.00 61.00 61.16 2dhj s PRO 59 Cb -0.10 -1.60 -0.16 0.00 0.04 0.00 0.00 34.50 32.68 2dhj s PRO 59 CO 0.34 -3.69 0.95 0.45 0.04 0.00 0.00 177.00 175.09 2dhj n SER 60 N -4.75 0.27 0.19 6.66 2.88 -1.25 -4.87 113.62 112.74 2dhj n SER 60 Ca 0.13 0.91 -0.08 0.00 -1.33 0.00 0.00 58.87 58.50 2dhj n SER 60 Cb 0.59 -0.71 -0.04 0.00 -0.75 0.00 0.00 64.21 63.31 2dhj n SER 60 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dhj h GLU 61 N 2.79 -0.51 0.00 -1.46 4.39 -1.89 -3.42 114.58 114.48 2dhj h GLU 61 Ca -0.38 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2dhj h GLU 61 Cb 1.10 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2dhj h GLU 61 CO 0.58 -0.34 -0.63 0.39 -1.16 0.00 0.00 179.01 177.85 2dhj n GLU 62 N -4.08 0.43 -0.51 2.33 1.02 -1.26 -4.99 120.64 113.59 2dhj n GLU 62 Ca -0.07 0.37 -0.29 0.00 -0.02 0.00 0.00 57.16 57.16 2dhj n GLU 62 Cb 0.21 -1.49 0.24 0.00 -0.02 0.00 0.00 31.44 30.39 2dhj n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2dhj n GLU 63 N -4.32 -2.47 -4.38 3.49 -0.58 -1.26 -5.04 120.64 106.08 2dhj n GLU 63 Ca -0.09 -0.70 -0.27 0.00 -0.42 0.00 0.00 57.16 55.68 2dhj n GLU 63 Cb 0.33 -2.02 -0.11 0.00 -0.57 0.00 0.00 31.44 29.06 2dhj n GLU 63 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2dhj s GLN 64 N -4.14 1.62 0.38 3.49 -2.07 -1.26 -4.62 119.66 113.07 2dhj s GLN 64 Ca 0.65 -1.43 -0.26 0.00 -1.82 0.00 0.00 55.36 52.51 2dhj s GLN 64 Cb -0.22 -1.93 -0.09 0.00 -1.09 0.00 0.00 33.01 29.68 2dhj s GLN 64 CO 0.66 0.42 1.20 -1.25 -1.32 0.00 0.00 175.29 175.00 2dhj s PRO 65 N -2.57 4.13 -0.18 9.60 0.04 -1.26 -4.91 135.00 139.84 2dhj s PRO 65 Ca 0.20 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.14 2dhj s PRO 65 Cb -0.09 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 2dhj s PRO 65 CO 0.10 -0.28 -0.07 0.42 0.04 0.00 0.00 177.00 177.22 2dhj s ILE 66 N -1.34 3.40 -0.49 0.56 1.01 -1.19 -4.92 121.20 118.24 2dhj s ILE 66 Ca 0.55 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 60.41 2dhj s ILE 66 Cb -0.33 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.65 2dhj s ILE 66 CO 0.42 0.47 1.38 -0.55 0.00 0.00 0.00 174.94 176.66 2dhj s SER 67 N 0.92 6.27 0.00 3.58 0.15 -1.26 -1.70 113.70 121.66 2dhj s SER 67 Ca -0.01 0.54 0.26 0.00 0.70 0.00 0.00 55.95 57.44 2dhj s SER 67 Cb -0.15 -2.54 0.73 0.00 -1.71 0.00 0.00 66.02 62.34 2dhj s SER 67 CO 0.01 -1.54 1.56 1.33 1.20 0.00 0.00 173.24 175.79 2dhj n VAL 68 N 6.96 0.00 -0.23 4.45 0.24 0.19 -4.30 118.33 125.64 2dhj n VAL 68 Ca 0.14 -0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.56 2dhj n VAL 68 Cb 0.49 0.15 0.28 0.00 -1.47 0.00 0.00 33.84 33.29 2dhj n VAL 68 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2dhj n ASN 69 N -1.26 0.05 -3.17 -1.34 5.15 -0.91 -0.86 115.26 112.91 2dhj n ASN 69 Ca 0.08 1.16 -0.24 0.00 -0.60 0.00 0.00 54.58 54.98 2dhj n ASN 69 Cb 0.33 -0.48 -0.05 0.00 -0.53 0.00 0.00 39.78 39.05 2dhj n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dhj n ALA 70 N -2.99 3.42 -2.55 5.20 0.00 -1.26 -4.09 120.51 118.24 2dhj n ALA 70 Ca 0.20 -4.14 -0.29 0.00 0.00 0.00 0.00 53.44 49.21 2dhj n ALA 70 Cb 0.67 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 2dhj n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhj s LEU 72 N -4.07 1.13 0.01 0.00 0.20 0.43 -4.95 118.68 111.44 2dhj s LEU 72 Ca 0.23 -0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.94 2dhj s LEU 72 Cb 0.00 -0.49 -0.04 0.00 -0.43 0.00 0.00 46.19 45.23 2dhj s LEU 72 CO 0.14 -0.09 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.46 2dhj s ILE 73 N 1.25 4.02 -0.29 6.68 1.01 -1.26 -0.06 121.20 132.55 2dhj s ILE 73 Ca -0.06 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.76 2dhj s ILE 73 Cb -0.14 -2.80 0.13 0.00 0.01 0.00 0.00 42.46 39.66 2dhj s ILE 73 CO -0.02 0.34 0.74 -1.81 0.00 0.00 0.00 174.94 174.19 2dhj s ASP 74 N -1.65 -0.96 -0.97 3.58 1.01 0.71 -4.99 116.67 113.41 2dhj s ASP 74 Ca 0.20 1.37 -0.24 0.00 0.71 0.00 0.00 52.55 54.59 2dhj s ASP 74 Cb -0.11 1.92 -0.25 0.00 1.01 0.00 0.00 42.92 45.48 2dhj s ASP 74 CO 0.11 -0.20 2.51 -0.38 0.21 0.00 0.00 175.17 177.42 2dhj n ILE 75 N 4.99 -0.00 -0.89 0.77 5.41 -1.26 -0.88 119.36 127.49 2dhj n ILE 75 Ca -0.14 -0.21 -0.29 0.00 1.00 0.00 0.00 62.75 63.12 2dhj n ILE 75 Cb 0.52 -0.51 0.01 0.00 -0.71 0.00 0.00 39.64 38.96 2dhj n ILE 75 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2dhj n SER 76 N 9.49 -3.06 -4.49 4.38 2.88 -1.06 -4.53 113.62 117.23 2dhj n SER 76 Ca 0.65 0.42 -0.45 0.00 -1.33 0.00 0.00 58.87 58.15 2dhj n SER 76 Cb 0.10 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 62.88 2dhj n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dhj n TYR 77 N -1.26 1.51 0.05 0.66 4.11 -1.26 -4.74 117.16 116.22 2dhj n TYR 77 Ca 0.04 0.19 0.18 0.00 -0.00 0.00 0.00 57.90 58.32 2dhj n TYR 77 Cb 0.36 -2.57 0.43 0.00 -0.00 0.00 0.00 39.34 37.56 2dhj n TYR 77 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2dhj h SER 78 N 14.27 0.00 -0.87 9.48 4.64 -1.92 0.93 113.55 140.08 2dhj h SER 78 Ca -0.26 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.27 2dhj h SER 78 Cb 1.30 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.26 2dhj h SER 78 CO 1.08 0.00 0.33 -0.33 -0.87 0.00 0.00 176.83 177.04 2dhj h GLU 79 N 0.00 0.34 -6.15 4.77 3.07 -1.92 -3.40 114.58 111.29 2dhj h GLU 79 Ca 0.25 -0.02 -0.66 0.00 -0.50 0.00 0.00 59.36 58.43 2dhj h GLU 79 Cb 2.07 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 29.91 2dhj h GLU 79 CO -0.00 0.22 1.16 -2.37 -1.40 0.00 0.00 179.01 176.63 2dhj n THR 80 N -5.09 0.41 -0.26 1.13 5.66 0.32 -4.77 114.28 111.68 2dhj n THR 80 Ca 0.21 -0.15 0.24 0.00 -3.05 0.00 0.00 64.05 61.30 2dhj n THR 80 Cb 0.63 -1.71 0.43 0.00 -1.55 0.00 0.00 70.33 68.13 2dhj n THR 80 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2dhj n LYS 81 N 6.91 -0.04 -1.86 1.09 2.85 -1.26 -4.29 118.16 121.56 2dhj n LYS 81 Ca 0.29 0.93 -0.41 0.00 -1.05 0.00 0.00 58.31 58.06 2dhj n LYS 81 Cb 0.25 -1.72 -0.02 0.00 -0.65 0.00 0.00 35.03 32.88 2dhj n LYS 81 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2dhj s ARG 82 N -4.95 4.17 0.27 -1.58 3.00 -1.26 -5.01 118.95 113.59 2dhj s ARG 82 Ca -0.06 2.48 0.07 0.00 0.00 0.00 0.00 55.73 58.22 2dhj s ARG 82 Cb 0.23 -3.06 -0.03 0.00 0.00 0.00 0.00 34.95 32.08 2dhj s ARG 82 CO 0.55 -0.57 0.23 0.15 0.00 0.00 0.00 175.30 175.66 2dhj s LYS 83 N -0.29 2.91 -1.39 3.54 1.02 -1.26 -4.59 119.74 119.68 2dhj s LYS 83 Ca 0.63 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 55.48 2dhj s LYS 83 Cb -0.46 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.32 2dhj s LYS 83 CO 0.45 0.34 0.85 0.09 -0.92 0.00 0.00 175.35 176.16 2dhj n ASN 84 N -1.23 -2.88 -4.31 2.83 4.13 -1.26 -4.27 115.26 108.26 2dhj n ASN 84 Ca -0.07 -0.78 -0.32 0.00 1.68 0.00 0.00 54.58 55.09 2dhj n ASN 84 Cb 0.58 -4.10 -0.16 0.00 -1.54 0.00 0.00 39.78 34.57 2dhj n ASN 84 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dhj s VAL 85 N -3.50 2.50 0.02 2.41 0.11 -1.26 -0.43 120.40 120.25 2dhj s VAL 85 Ca 0.29 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.51 2dhj s VAL 85 Cb -0.14 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.69 2dhj s VAL 85 CO 0.81 0.55 -0.12 0.72 -3.33 0.00 0.00 175.10 173.73 2dhj s PHE 86 N 0.11 2.73 -0.12 1.54 -0.71 0.51 -2.57 117.98 119.48 2dhj s PHE 86 Ca -0.10 -0.14 -0.10 0.00 -1.04 0.00 0.00 56.93 55.55 2dhj s PHE 86 Cb -0.16 -1.54 -0.05 0.00 -1.21 0.00 0.00 43.02 40.07 2dhj s PHE 86 CO 0.06 0.31 0.21 0.50 -1.34 0.00 0.00 175.22 174.96 2dhj s ARG 87 N -1.42 3.79 -0.06 1.99 3.52 -0.06 -2.03 118.95 124.69 2dhj s ARG 87 Ca 0.16 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.76 2dhj s ARG 87 Cb -0.11 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 2dhj s ARG 87 CO 0.06 0.59 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.92 2dhj s LEU 88 N -0.55 1.24 -0.19 -0.88 0.20 -1.20 -0.20 118.68 117.09 2dhj s LEU 88 Ca 0.16 -0.17 -0.02 0.00 0.69 0.00 0.00 54.13 54.79 2dhj s LEU 88 Cb -0.13 -0.57 -0.00 0.00 -0.43 0.00 0.00 46.19 45.06 2dhj s LEU 88 CO 0.05 -0.07 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.04 2dhj s THR 89 N 1.16 2.90 -0.04 3.68 2.01 0.91 -2.74 115.64 123.52 2dhj s THR 89 Ca -0.07 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.32 2dhj s THR 89 Cb -0.14 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 2dhj s THR 89 CO -0.01 0.48 -0.19 0.42 -0.69 0.00 0.00 174.62 174.62 2dhj s THR 90 N 1.20 2.65 0.53 -0.82 -4.23 -1.17 -0.43 115.64 113.38 2dhj s THR 90 Ca 0.02 -0.88 0.43 0.00 -1.18 0.00 0.00 61.69 60.09 2dhj s THR 90 Cb -0.14 -2.00 0.65 0.00 1.34 0.00 0.00 72.50 72.35 2dhj s THR 90 CO -0.04 0.58 1.62 -1.28 -0.54 0.00 0.00 174.62 174.96 2dhj h SER 91 N 5.48 0.06 0.17 3.99 0.87 -1.82 -0.67 113.55 121.63 2dhj h SER 91 Ca -0.44 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 2dhj h SER 91 Cb 1.14 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2dhj h SER 91 CO 0.49 -0.05 -0.08 0.44 -0.53 0.00 0.00 176.83 177.10 2dhj h ASP 92 N 0.02 -0.20 -5.03 6.23 3.32 -1.94 -3.48 116.42 115.34 2dhj h ASP 92 Ca 0.86 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.85 2dhj h ASP 92 Cb 3.27 0.05 -0.17 0.00 0.22 0.00 0.00 39.33 42.70 2dhj h ASP 92 CO -0.12 -0.05 -0.04 0.00 -1.72 0.00 0.00 179.24 177.31 2dhj s GLU 94 N -2.39 3.90 0.35 0.00 -6.30 -1.26 -3.01 118.70 109.99 2dhj s GLU 94 Ca -0.06 0.37 -0.06 0.00 -2.50 0.00 0.00 54.97 52.72 2dhj s GLU 94 Cb -0.01 -3.03 0.03 0.00 0.00 0.00 0.00 34.13 31.12 2dhj s GLU 94 CO -0.02 0.56 0.58 0.00 0.02 0.00 0.00 175.26 176.40 2dhj s LEU 96 N 0.00 2.46 -0.05 0.00 1.43 0.35 -3.23 118.68 119.63 2dhj s LEU 96 Ca 0.23 -0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 52.42 2dhj s LEU 96 Cb -0.02 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.69 2dhj s LEU 96 CO 0.17 -0.18 0.09 -0.36 0.23 0.00 0.00 176.35 176.30 2dhj s PHE 97 N -2.52 -0.03 0.28 0.29 0.08 -0.86 -0.86 117.98 114.36 2dhj s PHE 97 Ca 0.13 0.36 0.06 0.00 0.12 0.00 0.00 56.93 57.60 2dhj s PHE 97 Cb -0.03 -0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 42.05 2dhj s PHE 97 CO 0.03 -0.19 0.32 -1.14 -0.10 0.00 0.00 175.22 174.13 2dhj s GLN 98 N 1.94 3.07 0.23 0.44 0.74 -0.98 -0.36 119.66 124.74 2dhj s GLN 98 Ca 0.01 -1.01 0.04 0.00 0.05 0.00 0.00 55.36 54.46 2dhj s GLN 98 Cb -0.12 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.28 2dhj s GLN 98 CO -0.04 0.28 0.16 0.00 -0.55 0.00 0.00 175.29 175.14 2dhj n ALA 99 N -1.37 0.44 -0.07 1.58 0.00 0.43 -3.52 120.51 117.99 2dhj n ALA 99 Ca -0.06 -1.29 -0.06 0.00 0.00 0.00 0.00 53.44 52.03 2dhj n ALA 99 Cb 0.58 0.99 -0.02 0.00 0.00 0.00 0.00 19.45 21.00 2dhj n ALA 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dhj n GLU 100 N -0.47 0.41 -4.38 0.00 2.13 -1.26 -4.74 120.64 112.34 2dhj n GLU 100 Ca 0.02 0.28 -0.31 0.00 0.66 0.00 0.00 57.16 57.81 2dhj n GLU 100 Cb 0.39 -1.35 -0.10 0.00 0.27 0.00 0.00 31.44 30.66 2dhj n GLU 100 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dhj s ASP 101 N -5.47 4.58 0.23 4.31 1.01 -1.26 -4.85 116.67 115.22 2dhj s ASP 101 Ca -0.19 -0.22 -0.11 0.00 0.71 0.00 0.00 52.55 52.74 2dhj s ASP 101 Cb 0.03 -1.01 0.33 0.00 1.01 0.00 0.00 42.92 43.27 2dhj s ASP 101 CO 0.29 0.24 1.62 -0.09 0.21 0.00 0.00 175.17 177.44 2dhj h ARG 102 N 4.18 0.03 -0.23 8.23 2.43 -1.94 -0.10 114.38 126.97 2dhj h ARG 102 Ca -0.48 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 2dhj h ARG 102 Cb 1.17 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.64 2dhj h ARG 102 CO 0.54 0.02 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.30 2dhj h ASP 103 N 0.03 -0.89 -0.95 -3.80 3.32 -1.99 0.54 116.42 112.68 2dhj h ASP 103 Ca 0.36 0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.62 2dhj h ASP 103 Cb 0.58 0.40 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 2dhj h ASP 103 CO -0.71 -0.31 0.61 0.44 -1.72 0.00 0.00 179.24 177.54 2dhj h ASP 104 N -0.30 0.97 -0.09 6.45 5.19 -1.50 -0.53 116.42 126.62 2dhj h ASP 104 Ca 0.13 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2dhj h ASP 104 Cb 0.50 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 2dhj h ASP 104 CO -0.40 0.63 0.05 -0.03 -3.12 0.00 0.00 179.24 176.37 2dhj h MET 105 N 1.11 0.12 0.04 3.56 4.05 0.20 -2.76 114.93 121.25 2dhj h MET 105 Ca 0.41 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.81 2dhj h MET 105 Cb 0.15 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2dhj h MET 105 CO -0.17 0.13 -0.02 -0.07 0.23 0.00 0.00 176.91 177.01 2dhj h LEU 106 N 0.08 -0.04 -0.92 3.39 3.38 -0.46 -2.54 115.31 118.19 2dhj h LEU 106 Ca 0.03 -0.06 0.26 0.00 0.09 0.00 0.00 57.88 58.20 2dhj h LEU 106 Cb 0.04 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.65 2dhj h LEU 106 CO -0.01 0.03 0.33 0.00 0.09 0.00 0.00 178.44 178.89 2dhj h ALA 107 N 0.85 1.48 0.18 1.53 0.00 -1.02 0.19 119.26 122.47 2dhj h ALA 107 Ca -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2dhj h ALA 107 Cb 0.10 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dhj h ALA 107 CO 0.01 -0.50 -0.09 -1.49 0.00 0.00 0.00 179.25 177.18 2dhj h TRP 108 N 0.24 -0.22 -0.40 0.00 4.06 -1.19 -1.83 115.95 116.60 2dhj h TRP 108 Ca 0.61 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.64 2dhj h TRP 108 Cb 1.29 0.07 -0.09 0.00 -1.00 0.00 0.00 29.16 29.43 2dhj h TRP 108 CO -0.19 0.08 -0.23 0.82 -3.56 0.00 0.00 178.44 175.36 2dhj h ILE 109 N -0.52 0.37 0.40 1.49 2.04 -0.62 -0.11 117.51 120.57 2dhj h ILE 109 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2dhj h ILE 109 Cb 0.40 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2dhj h ILE 109 CO 0.04 0.00 -0.24 0.50 0.00 0.00 0.00 178.15 178.45 2dhj h LYS 110 N -0.15 -0.58 -0.88 2.37 3.64 -1.17 0.71 116.57 120.50 2dhj h LYS 110 Ca 0.19 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2dhj h LYS 110 Cb 0.46 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 2dhj h LYS 110 CO -0.50 -0.38 -0.57 1.15 -2.27 0.00 0.00 179.45 176.88 2dhj h THR 111 N -0.60 0.00 0.10 1.00 2.02 -1.13 0.22 112.91 114.52 2dhj h THR 111 Ca -0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2dhj h THR 111 Cb 0.48 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2dhj h THR 111 CO 0.06 0.00 -0.33 0.40 0.37 0.00 0.00 175.52 176.03 2dhj h ILE 112 N -0.08 0.31 -0.82 3.11 2.04 -1.01 -1.99 117.51 119.07 2dhj h ILE 112 Ca 0.15 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.20 2dhj h ILE 112 Cb 0.46 0.31 -0.12 0.00 -0.74 0.00 0.00 36.82 36.72 2dhj h ILE 112 CO -0.87 0.00 0.27 1.56 0.00 0.00 0.00 178.15 179.11 2dhj h GLN 113 N -0.54 0.31 -0.42 2.37 4.20 0.59 0.46 115.11 122.09 2dhj h GLN 113 Ca 0.04 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.80 2dhj h GLN 113 Cb 0.58 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 2dhj h GLN 113 CO -0.21 0.21 0.06 0.93 -0.67 0.00 0.00 178.83 179.15 2dhj h GLU 114 N 0.32 0.18 -0.59 1.46 4.39 0.11 -1.69 114.58 118.76 2dhj h GLU 114 Ca 0.49 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 60.11 2dhj h GLU 114 Cb 0.89 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 2dhj h GLU 114 CO -0.53 0.12 0.09 0.77 -1.16 0.00 0.00 179.01 178.29 2dhj h SER 115 N 0.18 0.92 -0.35 1.42 0.02 -0.60 -2.98 113.55 112.16 2dhj h SER 115 Ca 0.21 -0.21 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2dhj h SER 115 Cb 0.27 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 62.47 2dhj h SER 115 CO -0.29 0.93 0.04 -1.54 -1.14 0.00 0.00 176.83 174.82 2dhj n SER 116 N -4.23 5.80 -3.32 3.07 3.41 -0.34 -4.69 113.62 113.32 2dhj n SER 116 Ca 0.04 -2.75 -0.05 0.00 -0.26 0.00 0.00 58.87 55.85 2dhj n SER 116 Cb 0.28 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 62.93 2dhj n SER 116 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2dhj s ASN 117 N 1.26 -0.34 0.15 4.04 2.47 -1.13 -4.68 114.94 116.71 2dhj s ASN 117 Ca 0.44 0.53 -0.32 0.00 0.42 0.00 0.00 52.86 53.92 2dhj s ASN 117 Cb 0.25 1.49 -0.17 0.00 -1.45 0.00 0.00 41.25 41.37 2dhj s ASN 117 CO -0.06 -0.28 0.84 0.18 -3.72 0.00 0.00 177.10 174.07 2dhj n LEU 118 N 5.39 -0.05 0.00 3.21 4.77 -1.26 -4.90 117.00 124.16 2dhj n LEU 118 Ca -0.03 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 2dhj n LEU 118 Cb 0.50 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2dhj n LEU 118 CO 0.04 -2.20 -0.49 0.59 -1.33 0.00 0.00 177.39 174.00 2dhj n ASN 119 N 1.81 1.79 -3.79 -1.43 3.02 -1.26 -4.94 115.26 110.45 2dhj n ASN 119 Ca 0.17 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.43 2dhj n ASN 119 Cb 0.21 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.26 2dhj n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dhj s SER 120 N -4.53 3.89 0.00 6.41 0.15 -1.26 -4.86 113.70 113.50 2dhj s SER 120 Ca 0.00 -2.99 0.00 0.00 0.70 0.00 0.00 55.95 53.66 2dhj s SER 120 Cb 0.00 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 2dhj s SER 120 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dhj n GLY 121 N 3.08 -0.69 0.19 9.45 0.00 -1.26 -4.94 105.19 111.02 2dhj n GLY 121 Ca 0.11 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.32 2dhj n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhj h PRO 122 N 0.00 0.00 -6.47 1.61 0.13 -1.98 -3.47 132.00 121.83 2dhj h PRO 122 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 2dhj h PRO 122 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2dhj h PRO 122 CO 0.00 0.37 -0.83 0.43 -0.23 0.00 0.00 178.00 177.75 2dhj n SER 123 N -3.75 -2.56 -4.64 1.44 7.64 -1.26 -4.93 113.62 105.55 2dhj n SER 123 Ca -0.01 -0.92 -0.38 0.00 1.01 0.00 0.00 58.87 58.57 2dhj n SER 123 Cb 0.46 -3.32 -0.09 0.00 -1.01 0.00 0.00 64.21 60.24 2dhj n SER 123 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dhj s SER 124 N -3.75 6.21 0.00 6.43 0.15 -1.26 -5.23 113.70 116.25 2dhj s SER 124 Ca 0.41 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2dhj s SER 124 Cb -0.21 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2dhj s SER 124 CO 0.87 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.89